ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate

C13H23NO4 — CID 103783648

IUPACethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate
SMILESCCCOCC(=O)N1CCC[C@@H](C(=O)OCC)C1
InChIInChI=1S/C13H23NO4/c1-3-8-17-10-12(15)14-7-5-6-11(9-14)13(16)18-4-2/h11H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyLPIMXMIQCMWSQN-LLVKDONJSA-N
MW257.33 g/mol
LogP1.21
Rot. Bonds6

About ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate

ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate (PubChem CID 103783648) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate
PubChem CID103783648
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nameethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate
SMILESCCCOCC(=O)N1CCC[C@@H](C(=O)OCC)C1
InChIInChI=1S/C13H23NO4/c1-3-8-17-10-12(15)14-7-5-6-11(9-14)13(16)18-4-2/h11H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyLPIMXMIQCMWSQN-LLVKDONJSA-N
XLogP1.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate
CID 110678236
ethyl 1-(3-propoxypropanoyl)piperidine-3-carboxylate
CID 62716842
2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid
CID 60662012
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 51969024
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
ethyl 1-hexanoylpiperidine-3-carboxylate
CID 43409441
1-(3-aminopiperidin-1-yl)-2-propoxyethanone;hydrochloride
CID 119378739
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl (3R)-1-[2-[2-hydroxyethyl(propyl)amino]acetyl]piperidine-3-carboxylate
CID 94458961
ethyl (3S)-1-nonanoylpiperidine-3-carboxylate
CID 81338255
1-(2-butoxyacetyl)piperidine-3-carboxylic acid
CID 119167446

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate (CID 103783648) is ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate is CCCOCC(=O)N1CCC[C@@H](C(=O)OCC)C1.
What is the InChIKey of ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate?
The InChIKey is LPIMXMIQCMWSQN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23NO4/c1-3-8-17-10-12(15)14-7-5-6-11(9-14)13(16)18-4-2/h11H,3-10H2,1-2H3/t11-/m1/s1.
What are the key properties of ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate?
ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate is sourced from PubChem (CID 103783648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).